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Sungmin Lee
Sungmin Lee
McMaster University
Computational chemistry
Molecule
Chemistry
Non-bonding orbital
Fukui function
2
Papers
43
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In pursuit of negative Fukui functions: molecules with very small band gaps.
2014
Journal of Molecular Modeling
Eleonora Echegaray
Sandra Rabi
Carlos Cárdenas
Farnaz Heidar-Zadeh
Nataly Rabi
Sungmin Lee
James S. M. Anderson
Alejandro Toro–Labbé
Paul W. Ayers
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Citations (12)
In pursuit of negative Fukui functions: examples where the highest occupied molecular orbital fails to dominate the chemical reactivity
2013
Journal of Molecular Modeling
Eleonora Echegaray
Carlos Cárdenas
Sandra Rabi
Nataly Rabi
Sungmin Lee
Farnaz Heidar-Zadeh
Alejandro Toro–Labbé
James S. M. Anderson
Paul W. Ayers
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Citations (31)
1